N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide

C20H16F3NO — CID 9120483

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO/c1-24(13-14-6-7-15-4-2-3-5-17(15)12-14)19(25)16-8-10-18(11-9-16)20(21,22)23/h2-12H,13H2,1H3
InChIKeyFCQCBBOPFAXQQC-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.13
Rot. Bonds3

About N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide

N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 9120483) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID9120483
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO/c1-24(13-14-6-7-15-4-2-3-5-17(15)12-14)19(25)16-8-10-18(11-9-16)20(21,22)23/h2-12H,13H2,1H3
InChIKeyFCQCBBOPFAXQQC-UHFFFAOYSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide (CID 9120483) is N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide is CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is FCQCBBOPFAXQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c1-24(13-14-6-7-15-4-2-3-5-17(15)12-14)19(25)16-8-10-18(11-9-16)20(21,22)23/h2-12H,13H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide?
N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 9120483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).